N-[2-(3,4-difluorophenyl)oxolan-3-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine

C20H15F5N4O — CID 133435345

IUPACN-[2-(3,4-difluorophenyl)oxolan-3-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFc1ccc(C2OCCC2Nc2cc(C(F)(F)F)nc(-c3cccnc3)n2)cc1F
InChIInChI=1S/C20H15F5N4O/c21-13-4-3-11(8-14(13)22)18-15(5-7-30-18)27-17-9-16(20(23,24)25)28-19(29-17)12-2-1-6-26-10-12/h1-4,6,8-10,15,18H,5,7H2,(H,27,28,29)
InChIKeyJWVDRDGJMQBEPU-UHFFFAOYSA-N
MW422.36 g/mol
LogP4.78
Rot. Bonds4

About N-[2-(3,4-difluorophenyl)oxolan-3-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine

N-[2-(3,4-difluorophenyl)oxolan-3-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 133435345) has the molecular formula C20H15F5N4O and a molecular weight of 422.36 g/mol. Its IUPAC name is N-[2-(3,4-difluorophenyl)oxolan-3-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(3,4-difluorophenyl)oxolan-3-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID133435345
Molecular FormulaC20H15F5N4O
Molecular Weight422.36 g/mol
Exact Mass422.12
IUPAC NameN-[2-(3,4-difluorophenyl)oxolan-3-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFc1ccc(C2OCCC2Nc2cc(C(F)(F)F)nc(-c3cccnc3)n2)cc1F
InChIInChI=1S/C20H15F5N4O/c21-13-4-3-11(8-14(13)22)18-15(5-7-30-18)27-17-9-16(20(23,24)25)28-19(29-17)12-2-1-6-26-10-12/h1-4,6,8-10,15,18H,5,7H2,(H,27,28,29)
InChIKeyJWVDRDGJMQBEPU-UHFFFAOYSA-N
XLogP4.78
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.36
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-difluorophenyl)oxolan-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 133435434
N-(6-oxaspiro[4.5]decan-9-yl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 127597643
4-N-[2-(3,4-difluorophenyl)oxolan-3-yl]-6-pyrazol-1-ylpyrimidine-2,4-diamine
CID 133435270
1-(4-methylphenyl)-3-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one
CID 133353995
2-(5-methylfuran-2-yl)-1-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
CID 133353265
N-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133380378
N-(3,5-dimethoxyphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 21304988
N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 136526304
N-[(3R,4S)-3-methoxyoxan-4-yl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 131916302
cis-(1R,2S)-2-[[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]amino]cyclopentan-1-ol
CID 156865946
(3R)-3-methyl-4-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine
CID 95629224
methyl 2,2,3-trimethyl-3-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]butanoate
CID 133350083

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluorophenyl)oxolan-3-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-[2-(3,4-difluorophenyl)oxolan-3-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine (CID 133435345) is N-[2-(3,4-difluorophenyl)oxolan-3-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[2-(3,4-difluorophenyl)oxolan-3-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-[2-(3,4-difluorophenyl)oxolan-3-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine is Fc1ccc(C2OCCC2Nc2cc(C(F)(F)F)nc(-c3cccnc3)n2)cc1F.
What is the InChIKey of N-[2-(3,4-difluorophenyl)oxolan-3-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is JWVDRDGJMQBEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F5N4O/c21-13-4-3-11(8-14(13)22)18-15(5-7-30-18)27-17-9-16(20(23,24)25)28-19(29-17)12-2-1-6-26-10-12/h1-4,6,8-10,15,18H,5,7H2,(H,27,28,29).
What are the key properties of N-[2-(3,4-difluorophenyl)oxolan-3-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine?
N-[2-(3,4-difluorophenyl)oxolan-3-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 422.36 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluorophenyl)oxolan-3-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 133435345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).